<script type="text/javascript">
<!--
document.write('<div id="oa_widget"></div>');
document.write('<script type="text/javascript" src="https://www.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=undefined&type=result"></script>');
-->
</script>
Here, we use the GROMACS to perform density-fit (or density-guided) simulations. In density-guided simulations, additional forces are applied to atoms that depend on the gradient of similarity between a simulated density and a reference density. By applying these forces protein structures can be "fitted" to densities coming from, e.g., cryo electron-microscopy. The implemented approach extends the ones described in Orzechowski et al. and Igaev et al. More on the density guided approach implemented in GROMACS and a recently developed tool within GROMACS that can fit structures via Bayes' approach can be found in [Blau et al. bioRxiv 2022].
citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 0 | |
popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |